oo::define Traj method quasiharmonic {temp } {
   my variable dcdlist
   my variable operator
   my save merged.dcd
   set fname merged.dcd
   $operator sendCmd "open read unit 30 file name $fname\n coor dyna nunit 1 first 30\n coor copy comp\n"
   $operator sendCmd "calc nmodes 3*?natom"
   set result [$operator sendCmd "vibran nmode @nmodes\nquasi nunit 1 first 30 nfreq @nmodes thermo temp $temp resi\n end"]
   regexp -- {Ign\.frq\n(.*)\n\n\s+DIAGONALIZATION } $result matched per_res
   #SEGI  RESN  RESI     Entropy    Enthalpy     Heatcap     Atm/res   Ign.frq
   regexp -- { All\s+selected\s+([+-]?\d+[\.]?\d+)\s+([+-]?\d+[\.]?\d+)\s+([+-]?\d+[\.]?\d+)\s+(\d+)\s+(\d+)\s*\n } $result matched entropy enthalpy cv natom frq 
   #puts $per_res
   return $entropy 
}
